bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium

C54H34N6O12U2-12 — CID 139139113

IUPACbis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium
SMILESO=C([O-])c1ccc(C(=O)[O-])c2ccccc12.O=C([O-])c1ccc(C(=O)[O-])c2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C12H8O4.4O.2U/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;;;;;;/h2*1-11H;2*1-6H,(H,13,14)(H,15,16);;;;;;/q;;;;4*-2;;/p-4
InChIKeyKZCDYNJOHPKQNE-UHFFFAOYSA-J
MW1434.95 g/mol
LogP5.07
Rot. Bonds8

About bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium

bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium (PubChem CID 139139113) has the molecular formula C54H34N6O12U2-12 and a molecular weight of 1434.95 g/mol. Its IUPAC name is bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium.

Molecular Properties

Compound Namebis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium
PubChem CID139139113
Molecular FormulaC54H34N6O12U2-12
Molecular Weight1434.95 g/mol
Exact Mass1434.33
IUPAC Namebis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium
SMILESO=C([O-])c1ccc(C(=O)[O-])c2ccccc12.O=C([O-])c1ccc(C(=O)[O-])c2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C12H8O4.4O.2U/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;;;;;;/h2*1-11H;2*1-6H,(H,13,14)(H,15,16);;;;;;/q;;;;4*-2;;/p-4
InChIKeyKZCDYNJOHPKQNE-UHFFFAOYSA-J
XLogP5.07
TPSA351.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001434.95
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

Tetraoxidanium;bis(4-[2-(4-carboxylatophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoate);bis(nickel(2+));bis(2-pyridin-2-ylpyridine)
CID 168354232
12-[4-[7-Carboxy-16-[2-(4,4-difluoropiperidin-1-yl)ethyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaen-3-yl]cyclohexyl]-3-cyclohexyl-16-[(4-ethylpiperazin-1-yl)methyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid
CID 143830789
Ru(II)(bda)(isoq)2
CID 56835789
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20-tetrabenzoato)zinc(II)
CID 139059752
Tetrakis(mu-anthracene-9-carboxylato)-kappa^4^O:O';kappa^3^O,O':O';kappa^3^O:O,O'-bis[(anthracene-9-carboxylato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')erbium(III)]
CID 139060480
tris(2,2'-bipyridine-kappa^2^N,N')iron(II) 2,5-dicarboxybenzene-1,4-dicarboxylate-benzene-1,2,4,5-tetracarboxylic acid-water (1/1/2)
CID 139061392
mu-Terephthalato-bis[bis(2,2'-bipyridine)copper(II)] diperchlorate dihydrate
CID 139067420
Tetra-mu-benzoato-bis[benzoato(2,2-bipyridyl)terbium(III)]
CID 139070079
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)] tetrahydrate
CID 139072456
Tetrakis(mu-anthracene-9-carboxylato)bis[(anthracene-9-carboxylato)(2,2'-bipyridyl)lanthanum(III)]
CID 139074156
Bis(2,2'-bipyridine-kappa^2^N,N')(4-methylbenzoato-kappa^2^O,O')copper(II) iodide hemihydrate
CID 139075222

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium?
The IUPAC name of bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium (CID 139139113) is bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium.
What is the SMILES notation for bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium?
The canonical SMILES for bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium is O=C([O-])c1ccc(C(=O)[O-])c2ccccc12.O=C([O-])c1ccc(C(=O)[O-])c2ccccc12.[O-2].[O-2].[O-2].[O-2].[U].[U].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium?
The InChIKey is KZCDYNJOHPKQNE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H11N3.2C12H8O4.4O.2U/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9;;;;;;/h2*1-11H;2*1-6H,(H,13,14)(H,15,16);;;;;;/q;;;;4*-2;;/p-4.
What are the key properties of bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium?
bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium has a molecular weight of 1434.95 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dipyridin-2-ylpyridine);bis(naphthalene-1,4-dicarboxylate);tetrakis(oxygen(2-));uranium is sourced from PubChem (CID 139139113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).